51 citations · 82 across the 3 of their papers we have counts for
4 papers
A Machine-Learned Spin-Lattice Potential for Dynamic Simulations of Defective Magnetic Iron
Jacob Bernard John Chapman, Pui-Wai Ma
A machine-learned spin-lattice interatomic potential (MSLP) for magnetic iron is developed and applied to mesoscopic scale defects. It is achieved by augmenting a spin-lattice Hami…
Effect of Non-Heisenberg Magnetic Interactions on Defects in Ferromagnetic Iron
Jacob B. J. Chapman, Pui-Wai Ma, Sergei L. Dudarev
Fundamental flaws in the Heisenberg Hamiltonian are highlighted in the context of its application to BCC Fe, including the particular issues arising when modelling lattice defects.…
The Dynamics of Magnetism in Fe-Cr Alloys with Cr Clustering
J. B. J. Chapman, S. L. Dudarev, P. -W. Ma
The dynamics of magnetic moments in iron-chromium alloys with different levels of Cr clustering show unusual features resulting from the fact that even in a perfect body-centred cu…
Dynamic Simulation of Structural Phase Transitions in Magnetic Iron
Pui-Wai Ma, S. L. Dudarev, Jan S. Wróbel
The occurrence of bcc-fcc (-) and fcc-bcc (-) phase transitions in magnetic iron stems from the interplay between magnetic excitations and lattice vibrations. However,…